3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-5-cyclopropyl-1,2,4-triazole Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=C5C(=CC(=C4)Cl)COCO5

Isomeric SMILES

C1CC1C2=NN=C(N2CC3=CC=CC=C3)SCC4=C5C(=CC(=C4)Cl)COCO5

InChI

InChI=1S/C21H20ClN3O2S/c22-18-8-16-11-26-13-27-19(16)17(9-18)12-28-21-24-23-20(15-6-7-15)25(21)10-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2